N-[2-(2-bromoethyl)pentyl]methanesulfonamide

C8H18BrNO2S — CID 106118416

IUPACN-[2-(2-bromoethyl)pentyl]methanesulfonamide
SMILESCCCC(CCBr)CNS(C)(=O)=O
InChIInChI=1S/C8H18BrNO2S/c1-3-4-8(5-6-9)7-10-13(2,11)12/h8,10H,3-7H2,1-2H3
InChIKeyDCQROXYMEKPPBB-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.74
Rot. Bonds7

About N-[2-(2-bromoethyl)pentyl]methanesulfonamide

N-[2-(2-bromoethyl)pentyl]methanesulfonamide (PubChem CID 106118416) has the molecular formula C8H18BrNO2S and a molecular weight of 272.21 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]methanesulfonamide
PubChem CID106118416
Molecular FormulaC8H18BrNO2S
Molecular Weight272.21 g/mol
Exact Mass271.02
IUPAC NameN-[2-(2-bromoethyl)pentyl]methanesulfonamide
SMILESCCCC(CCBr)CNS(C)(=O)=O
InChIInChI=1S/C8H18BrNO2S/c1-3-4-8(5-6-9)7-10-13(2,11)12/h8,10H,3-7H2,1-2H3
InChIKeyDCQROXYMEKPPBB-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylhexyl)methanesulfonamide
CID 5176352
N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide
CID 106118369
N-(2-bromo-3-ethylpentyl)-1,1-difluoromethanesulfonamide
CID 106288594
N-[2-(2-bromoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114145887
N-(5-methylhexyl)methanesulfonamide
CID 58970685
N-(3-methylhexyl)methanesulfonamide
CID 90213137
N-(2-methylhexyl)methanesulfonamide
CID 122599002
N-[(2R)-2-methylhexyl]methanesulfonamide
CID 122599017
N-[(2S)-2-methylhexyl]methanesulfonamide
CID 145149360
N-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen
CID 145277308
N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen
CID 145277328
N-(5-methylheptyl)methanesulfonamide
CID 166976444

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]methanesulfonamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]methanesulfonamide (CID 106118416) is N-[2-(2-bromoethyl)pentyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]methanesulfonamide is CCCC(CCBr)CNS(C)(=O)=O.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]methanesulfonamide?
The InChIKey is DCQROXYMEKPPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO2S/c1-3-4-8(5-6-9)7-10-13(2,11)12/h8,10H,3-7H2,1-2H3.
What are the key properties of N-[2-(2-bromoethyl)pentyl]methanesulfonamide?
N-[2-(2-bromoethyl)pentyl]methanesulfonamide has a molecular weight of 272.21 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]methanesulfonamide is sourced from PubChem (CID 106118416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).